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Table 1 Optimal cut-offs corresponding to maximal accuracies (in parentheses) for all 5 methods.

From: MetaboHunter: an automatic approach for identification of metabolites from 1H-NMR spectra of complex mixtures

Data set MH1_HMDB MH1_MMCD MH3_HMDB MH3_MMCD HMDB NMR Search
SYN5_s 8 4 8 1 1
  (0.994) (0.971) (0.992) (0.969) (0.985)
SYN5_f 9 1 5 1 1
  (0.995) (0.973) (0.991) (0.973) (0.985)
SYN5_p 13 14 7 7 1
  (0.998) (0.984) (0.993) (0.982) (0.987)
EXP1 1 1 1 1 1
  (0.984) (0.969) (0.984) (0.969) (0.985)
EXP2 1 2 1 1 1
  (0.986) (0.973) (0.987) (0.973) (0.985)
  1. Data sets SYN5_s, SYN5_f and SYN5_p are synthetic mixtures and EXP1 and EXP2 are experimental mixtures. Each table cell contains the optimal K cut-off value (top K) and the corresponding maximal accuracy value (in parentheses).